Molecule card · MolClass #48225
14726261
14726261: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14726261Mitochondrial Fusion · compound_name
- MolClass ID
- 48225
- InChIKey
- JUARKVTXVVJVFV-UHFFFAOYSA-N
- Canonical SMILES
- O=C2OC(Nc1ccc(cn1)Cl)c3ccccc23
- Standard InChI
- InChI=1S/C13H9ClN2O2/c14-8-5-6-11(15-7-8)16-12-9-3-1-2-4-10(9)13(17)18-12/h1-7,12H,(H,15,16)
- Stored Murcko scaffold
- n1ccccc1NC2O[CH]c3ccccc32
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.676 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.442
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14726261